Compile Data Set for Download or QSAR

Found 186 hits with Last Name = 'kurono' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.574	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P5 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.626	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Rattus norvegicus)	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.772	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375611 (CHEMBL408120) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C Show InChI InChI=1S/C53H81FN6O16/c1-28(2)47(74-45(66)26-41(63)46(52(70)71)34(8)51(68)69)49(72-10)42(64)25-40(62)33(7)39(61)16-12-31(5)48-32(6)19-21-53(76-48)20-18-30(4)43(75-53)17-13-29(3)35(9)59-73-27-44(65)56-22-11-23-57-50(67)36-14-15-37(54)38(24-36)58-60-55/h14-15,24,28-33,39,41-43,47-49,61,63-64H,11-13,16-23,25-27H2,1-10H3,(H,56,65)(H,57,67)(H,68,69)(H,70,71)/b46-34-,59-35+/t29-,30+,31+,32-,33-,39-,41+,42+,43-,47+,48-,49-,53+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375608 (CHEMBL406220) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C |r| Show InChI InChI=1S/C41H68O14/c1-21(2)36(53-34(47)20-31(45)35(40(50)51)27(8)39(48)49)38(52-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(55-37)17-15-23(4)33(54-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3,(H,48,49)(H,50,51)/b35-27-/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375616 (CHEMBL405248) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)Nc3cccc(c3)C(=O)c3ccccc3)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C Show InChI InChI=1S/C56H80N2O16/c1-31(2)51(72-48(64)29-44(61)49(55(68)69)37(8)54(66)67)53(70-10)45(62)28-43(60)36(7)42(59)21-19-34(5)52-35(6)24-26-56(74-52)25-23-33(4)46(73-56)22-20-32(3)38(9)58-71-30-47(63)57-41-18-14-17-40(27-41)50(65)39-15-12-11-13-16-39/h11-18,27,31-36,42,44-46,51-53,59,61-62H,19-26,28-30H2,1-10H3,(H,57,63)(H,66,67)(H,68,69)/b49-37-,58-38+/t32-,33+,34+,35-,36-,42-,44+,45+,46-,51+,52-,53-,56+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375613 (CHEMBL261577) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)NCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C Show InChI InChI=1S/C52H79FN6O16/c1-27(2)46(73-44(65)25-40(62)45(51(69)70)33(8)50(67)68)48(71-10)41(63)24-39(61)32(7)38(60)15-11-30(5)47-31(6)18-20-52(75-47)19-17-29(4)42(74-52)16-12-28(3)34(9)58-72-26-43(64)55-21-22-56-49(66)35-13-14-36(53)37(23-35)57-59-54/h13-14,23,27-32,38,40-42,46-48,60,62-63H,11-12,15-22,24-26H2,1-10H3,(H,55,64)(H,56,66)(H,67,68)(H,69,70)/b45-33-,58-34-/t28-,29+,30+,31-,32-,38-,40+,41+,42-,46+,47-,48-,52+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375612 (CHEMBL427915) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C Show InChI InChI=1S/C52H79FN6O16/c1-27(2)46(73-44(65)25-40(62)45(51(69)70)33(8)50(67)68)48(71-10)41(63)24-39(61)32(7)38(60)15-11-30(5)47-31(6)18-20-52(75-47)19-17-29(4)42(74-52)16-12-28(3)34(9)58-72-26-43(64)55-21-22-56-49(66)35-13-14-36(53)37(23-35)57-59-54/h13-14,23,27-32,38,40-42,46-48,60,62-63H,11-12,15-22,24-26H2,1-10H3,(H,55,64)(H,56,66)(H,67,68)(H,69,70)/b45-33-,58-34+/t28-,29+,30+,31-,32-,38-,40+,41+,42-,46+,47-,48-,52+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375609 (CHEMBL406283) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCSSCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C Show InChI InChI=1S/C54H83FN6O16S2/c1-29(2)48(75-46(67)27-42(64)47(53(71)72)35(8)52(69)70)50(73-10)43(65)26-41(63)34(7)40(62)15-11-32(5)49-33(6)18-20-54(77-49)19-17-31(4)44(76-54)16-12-30(3)36(9)60-74-28-45(66)57-21-23-78-79-24-22-58-51(68)37-13-14-38(55)39(25-37)59-61-56/h13-14,25,29-34,40,42-44,48-50,62,64-65H,11-12,15-24,26-28H2,1-10H3,(H,57,66)(H,58,68)(H,69,70)(H,71,72)/b47-35-,60-36+/t30-,31+,32+,33-,34-,40-,42+,43+,44-,48+,49-,50-,54+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	19.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375614 (CHEMBL259235) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCNC(=O)c3ccc(cc3OC)C3(N=N3)C(F)(F)F)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C |c:51| Show InChI InChI=1S/C55H82F3N5O17/c1-28(2)47(78-45(69)26-40(66)46(52(73)74)34(8)51(71)72)49(76-11)41(67)25-39(65)33(7)38(64)16-12-31(5)48-32(6)19-21-53(80-48)20-18-30(4)42(79-53)17-13-29(3)35(9)61-77-27-44(68)59-22-23-60-50(70)37-15-14-36(24-43(37)75-10)54(62-63-54)55(56,57)58/h14-15,24,28-33,38,40-42,47-49,64,66-67H,12-13,16-23,25-27H2,1-11H3,(H,59,68)(H,60,70)(H,71,72)(H,73,74)/b46-34-,61-35+/t29-,30+,31+,32-,33-,38-,40+,41+,42-,47+,48-,49-,53+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375610 (CHEMBL436904) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)NCCSSCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C Show InChI InChI=1S/C54H83FN6O16S2/c1-29(2)48(75-46(67)27-42(64)47(53(71)72)35(8)52(69)70)50(73-10)43(65)26-41(63)34(7)40(62)15-11-32(5)49-33(6)18-20-54(77-49)19-17-31(4)44(76-54)16-12-30(3)36(9)60-74-28-45(66)57-21-23-78-79-24-22-58-51(68)37-13-14-38(55)39(25-37)59-61-56/h13-14,25,29-34,40,42-44,48-50,62,64-65H,11-12,15-24,26-28H2,1-10H3,(H,57,66)(H,58,68)(H,69,70)(H,71,72)/b47-35-,60-36-/t30-,31+,32+,33-,34-,40-,42+,43+,44-,48+,49-,50-,54+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	23.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P4 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375617 (CHEMBL261094) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)Nc3cccc(c3)C(=O)c3ccccc3)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C Show InChI InChI=1S/C56H80N2O16/c1-31(2)51(72-48(64)29-44(61)49(55(68)69)37(8)54(66)67)53(70-10)45(62)28-43(60)36(7)42(59)21-19-34(5)52-35(6)24-26-56(74-52)25-23-33(4)46(73-56)22-20-32(3)38(9)58-71-30-47(63)57-41-18-14-17-40(27-41)50(65)39-15-12-11-13-16-39/h11-18,27,31-36,42,44-46,51-53,59,61-62H,19-26,28-30H2,1-10H3,(H,57,63)(H,66,67)(H,68,69)/b49-37-,58-38-/t32-,33+,34+,35-,36-,42-,44+,45+,46-,51+,52-,53-,56+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375615 (CHEMBL261583) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)NCCNC(=O)c3ccc(cc3OC)C3(N=N3)C(F)(F)F)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C |c:51| Show InChI InChI=1S/C55H82F3N5O17/c1-28(2)47(78-45(69)26-40(66)46(52(73)74)34(8)51(71)72)49(76-11)41(67)25-39(65)33(7)38(64)16-12-31(5)48-32(6)19-21-53(80-48)20-18-30(4)42(79-53)17-13-29(3)35(9)61-77-27-44(68)59-22-23-60-50(70)37-15-14-36(24-43(37)75-10)54(62-63-54)55(56,57)58/h14-15,24,28-33,38,40-42,47-49,64,66-67H,12-13,16-23,25-27H2,1-11H3,(H,59,68)(H,60,70)(H,71,72)(H,73,74)/b46-34-,61-35-/t29-,30+,31+,32-,33-,38-,40+,41+,42-,47+,48-,49-,53+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514126 (US11052091, Example 5-1) Show SMILES CS(=O)(=O)c1ccc(Nc2nc(N)c3n(-c4cccc5[nH]ncc45)c(=O)n(C4CCCC4)c3n2)c(F)c1 |(-8.27,2.41,;-6.93,1.64,;-8.27,.87,;-6.93,3.18,;-5.6,.87,;-4.26,1.64,;-2.93,.87,;-2.93,-.67,;-1.6,-1.44,;-.26,-.67,;-.26,.87,;1.07,1.64,;1.07,3.18,;2.4,.87,;3.87,1.35,;4.27,2.84,;3.24,3.98,;3.71,5.45,;5.22,5.77,;6.25,4.62,;7.79,4.62,;8.27,3.16,;7.02,2.25,;5.77,3.16,;4.77,.1,;6.31,.1,;3.87,-1.14,;4.27,-2.63,;5.73,-3.11,;5.73,-4.65,;4.27,-5.12,;3.36,-3.88,;2.4,-.67,;1.07,-1.44,;-4.26,-1.44,;-4.26,-2.98,;-5.6,-.67,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514134 (US11052091, Example 5-16) Show SMILES Nc1nc(Nc2ccc(cc2F)C(=O)N2CCNCC2)nc2n(C3CCC(F)(F)C3)c(=O)n(-c3ccc(Cl)c(O)c3)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581757 (US11512087, Example 1) Show SMILES CC(C)n1nc(-c2ccc3[nH]ccc3c2)c2c(N)nc(Nc3cn(C)nc3C)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514136 (US11052091, Example 5-18) Show SMILES CC(C)n1c2nc(Nc3cn(C)nc3C)nc(N)c2n(-c2ccc3cc[nH]c3c2)c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514135 (US11052091, Example 5-17) Show SMILES CC(C)n1c2nc(Nc3ccc4C(=O)N(C)Cc4c3)nc(N)c2n(-c2ccc3[nH]ccc3c2)c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514137 (US11052091, Example 5-19) Show SMILES CC(C)n1c2nc(Nc3ccc(cc3F)C(=O)N(C)C)nc(N)c2n(-c2ccc3[nH]ccc3c2)c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581831 (US11512087, Example 13-1) Show SMILES CC(C)n1cc(-c2ccc(C#N)c3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)S(C)(=O)=O)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581837 (US11512087, Example 25) Show SMILES CC(C)c1cc(-c2cccc(O)c2)c2c(N)nc(Nc3ccc(cc3F)C(=O)N(C)C)nn12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581838 (US11512087, Example 26-1) Show SMILES CC(C)c1cc(-c2cccc3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)C(=O)N(C)C)nn12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581832 (US11512087, Example 13-9) Show SMILES CC(C)n1cc(-c2ccc(cc2)C#N)c2c(N)nc(Nc3ccc(cc3F)C(=O)N3CCNCC3)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514127 (US11052091, Example 5-2) Show SMILES CS(=O)(=O)c1ccc(Nc2nc(N)c3n(-c4cccc5[nH]ncc45)c(=O)n(C4CCC4)c3n2)c(F)c1 |(6.39,5.62,;6.39,4.08,;4.85,4.08,;7.93,4.08,;6.39,2.54,;7.73,1.77,;7.73,.23,;6.39,-.54,;6.39,-2.08,;5.06,-2.85,;5.06,-4.39,;3.73,-5.16,;3.73,-6.7,;2.39,-4.39,;.93,-4.87,;.45,-6.33,;1.48,-7.48,;1.01,-8.94,;-.5,-9.26,;-1.53,-8.12,;-3.07,-8.12,;-3.55,-6.65,;-2.3,-5.75,;-1.05,-6.65,;.02,-3.62,;-1.52,-3.62,;.93,-2.37,;.45,-.91,;-.92,-.21,;-.22,1.16,;1.15,.46,;2.39,-2.85,;3.73,-2.08,;5.06,.23,;3.73,-.54,;5.06,1.77,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514138 (US11052091, Example 5-21) Show SMILES COc1cc(Nc2nc(N)c3n(-c4ccc5[nH]ccc5c4)c(=O)n(C(C)C)c3n2)ccc1C(=O)N(C)C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514124 (US11052091, Example 3) Show SMILES CC(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2ccc(F)c3[nH]ncc23)c1=O |(3.18,-5.49,;4.27,-4.4,;5.75,-4.8,;3.87,-2.91,;2.4,-2.43,;1.07,-3.2,;-.26,-2.43,;-1.6,-3.2,;-2.93,-2.43,;-2.93,-.89,;-4.26,-.12,;-5.6,-.89,;-5.6,-2.43,;-4.26,-3.2,;-4.26,-4.74,;-6.93,-.12,;-8.27,.65,;-8.27,-.89,;-6.93,1.42,;-.26,-.89,;1.07,-.12,;1.07,1.42,;2.4,-.89,;3.87,-.42,;4.27,1.07,;3.24,2.21,;3.71,3.68,;5.22,4,;5.62,5.49,;6.25,2.85,;7.79,2.85,;8.27,1.39,;7.02,.48,;5.77,1.39,;4.77,-1.66,;6.31,-1.66,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581830 (US11512087, Example 12) Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nc(N)c3c(nn(C4CCCC4)c3n2)-c2cccc(O)c2)c(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581795 (US11512087, Example 4-1) Show SMILES CC(C)n1nc(-c2ccc(Cl)c3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)S(C)(=O)=O)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581780 (US11512087, Example 2) Show SMILES CC(C)n1nc(-c2ccc(F)c3[nH]ncc23)c2c(N)nc(Nc3cn(C)nc3C)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514128 (US11052091, Example 5-3) Show SMILES CC(C)(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2cccc3[nH]ncc23)c1=O |(-1.05,-.59,;.45,-.91,;1.48,.24,;1.96,-1.23,;.93,-2.37,;2.39,-2.85,;3.73,-2.08,;5.06,-2.85,;6.39,-2.08,;6.39,-.54,;7.73,.23,;7.73,1.77,;6.39,2.54,;5.06,1.77,;5.06,.23,;3.73,-.54,;6.39,4.08,;6.39,5.62,;4.85,4.08,;7.93,4.08,;5.06,-4.39,;3.73,-5.16,;3.73,-6.7,;2.39,-4.39,;.93,-4.87,;.45,-6.33,;1.48,-7.48,;1.01,-8.94,;-.5,-9.26,;-1.53,-8.12,;-3.07,-8.12,;-3.55,-6.65,;-2.3,-5.75,;-1.05,-6.65,;.02,-3.62,;-1.52,-3.62,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514129 (US11052091, Example 5-4) Show SMILES CC(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2ccc(C)c3[nH]ncc23)c1=O |(-1.05,-.59,;.45,-.91,;1.48,.24,;.93,-2.37,;2.39,-2.85,;3.73,-2.08,;5.06,-2.85,;6.39,-2.08,;6.39,-.54,;7.73,.23,;7.73,1.77,;6.39,2.54,;5.06,1.77,;5.06,.23,;3.73,-.54,;6.39,4.08,;6.39,5.62,;4.85,4.08,;7.93,4.08,;5.06,-4.39,;3.73,-5.16,;3.73,-6.7,;2.39,-4.39,;.93,-4.87,;.45,-6.33,;1.48,-7.48,;1.01,-8.94,;-.5,-9.26,;-.97,-10.72,;-1.53,-8.12,;-3.07,-8.12,;-3.55,-6.65,;-2.3,-5.75,;-1.05,-6.65,;.02,-3.62,;-1.52,-3.62,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581829 (US11512087, Example 10) Show SMILES Cc1nn(C)cc1Nc1nc(N)c2c(nn(C3CCC3)c2n1)-c1ccc2cc[nH]c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514139 (US11052091, Example 5-22) Show SMILES CC(C)n1c2nc(Nc3ccc(cc3F)C(=O)NCCN(C)C)nc(N)c2n(-c2ccc(Cl)c(O)c2)c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514121 (US11052091, Example 1) Show SMILES CC(C)(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2ccc(F)c3[nH]ncc23)c1=O |(5.75,-4.6,;4.27,-4.2,;3.18,-5.29,;4.67,-5.69,;3.87,-2.71,;2.4,-2.23,;1.07,-3,;-.26,-2.23,;-1.6,-3,;-2.93,-2.23,;-2.93,-.69,;-4.26,.08,;-5.6,-.69,;-5.6,-2.23,;-4.26,-3,;-4.26,-4.54,;-6.93,.08,;-8.27,.85,;-6.93,1.62,;-8.27,-.69,;-.26,-.69,;1.07,.08,;1.07,1.62,;2.4,-.69,;3.87,-.22,;4.27,1.27,;3.24,2.41,;3.71,3.88,;5.22,4.2,;5.62,5.69,;6.25,3.05,;7.79,3.05,;8.27,1.59,;7.02,.68,;5.77,1.59,;4.77,-1.46,;6.31,-1.46,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514130 (US11052091, Example 5-5) Show SMILES CS(=O)(=O)c1ccc(Nc2nc(N)c3n(-c4cccc5[nH]ncc45)c(=O)n(C4CCC(F)(F)C4)c3n2)c(F)c1 |(-8.27,2.41,;-6.93,1.64,;-8.27,.87,;-6.93,3.18,;-5.6,.87,;-4.26,1.64,;-2.93,.87,;-2.93,-.67,;-1.6,-1.44,;-.26,-.67,;-.26,.87,;1.07,1.64,;1.07,3.18,;2.4,.87,;3.87,1.35,;4.27,2.84,;3.24,3.98,;3.71,5.45,;5.22,5.77,;6.25,4.62,;7.79,4.62,;8.27,3.16,;7.02,2.25,;5.77,3.16,;4.77,.1,;6.31,.1,;3.87,-1.14,;4.27,-2.63,;3.36,-3.88,;4.27,-5.12,;5.73,-4.65,;7.07,-3.88,;7.07,-5.42,;5.73,-3.11,;2.4,-.67,;1.07,-1.44,;-4.26,-1.44,;-4.26,-2.98,;-5.6,-.67,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581828 (US11512087, Example 8) Show SMILES Cc1nn(C)cc1Nc1nc(N)c2c(nn(CC(F)(F)F)c2n1)-c1ccc2occc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581835 (US11512087, Example 18-1) Show SMILES CC(C)n1nc(-c2cccc3[nH]ncc23)c2c(N)nc(Nc3cc(F)c(C)cc3F)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581806 (US11512087, Example 4-3) Show SMILES CC(C)n1nc(-c2ccc(F)c3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)S(C)(=O)=O)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514131 (US11052091, Example 5-8) Show SMILES COc1cc(ccc1Nc1nc(N)c2n(-c3ccc4cn[nH]c4c3)c(=O)n(C3CCOC3)c2n1)S(C)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514122 (US11052091, Example 2-1) Show SMILES CC(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2ccc(Cl)c3[nH]ncc23)c1=O |(5.75,-4.8,;4.27,-4.4,;3.18,-5.49,;3.87,-2.91,;2.4,-2.43,;1.07,-3.2,;-.26,-2.43,;-1.6,-3.2,;-2.93,-2.43,;-2.93,-.89,;-4.26,-.12,;-5.6,-.89,;-5.6,-2.43,;-4.26,-3.2,;-4.26,-4.74,;-6.93,-.12,;-8.27,.65,;-6.93,1.42,;-8.27,-.89,;-.26,-.89,;1.07,-.12,;1.07,1.42,;2.4,-.89,;3.87,-.42,;4.27,1.07,;3.24,2.21,;3.71,3.68,;5.22,4,;5.62,5.49,;6.25,2.85,;7.79,2.85,;8.27,1.39,;7.02,.48,;5.77,1.39,;4.77,-1.66,;6.31,-1.66,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581805 (US11512087, Example 4-2) Show SMILES CC(C)n1nc(-c2cccc3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)S(C)(=O)=O)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581836 (US11512087, Example 23) Show SMILES Cc1nn(CC(C)(C)O)cc1Nc1nc(N)c2c(cn(C3COC3)c2n1)-c1cccc2[nH]ncc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514123 (US11052091, Example 2-2) Show SMILES CC(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2cc(F)c(F)c3[nH]ncc23)c1=O |(3.18,-5.49,;4.27,-4.4,;5.75,-4.8,;3.87,-2.91,;2.4,-2.43,;1.07,-3.2,;-.26,-2.43,;-1.6,-3.2,;-2.93,-2.43,;-2.93,-.89,;-4.26,-.12,;-5.6,-.89,;-5.6,-2.43,;-4.26,-3.2,;-4.26,-4.74,;-6.93,-.12,;-8.27,.65,;-8.27,-.89,;-6.93,1.42,;-.26,-.89,;1.07,-.12,;1.07,1.42,;2.4,-.89,;3.87,-.42,;4.27,1.07,;3.24,2.21,;3.71,3.68,;2.62,4.77,;5.22,4,;5.62,5.49,;6.25,2.85,;7.79,2.85,;8.27,1.39,;7.02,.48,;5.77,1.39,;4.77,-1.66,;6.31,-1.66,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514125 (US11052091, Example 4) Show SMILES CC(C)n1c2nc(Nc3ccc(cc3F)C(C)=O)nc(N)c2n(-c2cccc3[nH]ncc23)c1=O |(3.18,-4.74,;4.27,-3.65,;5.75,-4.05,;3.87,-2.17,;2.4,-1.69,;1.07,-2.46,;-.26,-1.69,;-1.6,-2.46,;-2.93,-1.69,;-2.93,-.15,;-4.26,.62,;-5.6,-.15,;-5.6,-1.69,;-4.26,-2.46,;-4.26,-4,;-6.93,.62,;-8.27,-.15,;-6.93,2.16,;-.26,-.15,;1.07,.62,;1.07,2.16,;2.4,-.15,;3.87,.33,;4.27,1.81,;3.24,2.96,;3.71,4.42,;5.22,4.74,;6.25,3.6,;7.79,3.6,;8.27,2.13,;7.02,1.23,;5.77,2.13,;4.77,-.92,;6.31,-.92,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM581833 (US11512087, Example 14-4) Show SMILES CC(C)n1cc(-c2c[nH]c3ncccc23)c2c(N)nc(Nc3cn(C)nc3C)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1WXW
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514140 (US11052091, Example 5-27) Show SMILES CC(C)n1c2nc(Nc3ccc(cc3F)C(=O)N3C=CC(O)C=C3)nc(N)c2n(-c2ccc(Cl)c(O)c2)c1=O |c:19,23| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM514132 (US11052091, Example 5-10) Show SMILES CC(C)n1c2nc(Nc3ccc(c(F)c3F)S(C)(=O)=O)nc(N)c2n(-c2ccc3cn[nH]c3c2F)c1=O |(3.18,-5.29,;4.27,-4.2,;5.75,-4.6,;3.87,-2.71,;2.4,-2.23,;1.07,-3,;-.26,-2.23,;-1.6,-3,;-2.93,-2.23,;-2.93,-.69,;-4.26,.08,;-5.6,-.69,;-5.6,-2.23,;-6.93,-3,;-4.26,-3,;-4.26,-4.54,;-6.93,.08,;-8.27,.85,;-8.27,-.69,;-6.93,1.62,;-.26,-.69,;1.07,.08,;1.07,1.62,;2.4,-.69,;3.87,-.22,;4.27,1.27,;3.24,2.41,;3.71,3.88,;5.22,4.2,;5.99,5.53,;7.5,5.21,;7.66,3.68,;6.25,3.05,;5.77,1.59,;6.8,.44,;4.77,-1.46,;6.31,-1.46,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351KZ
					More data for this Ligand-Target Pair

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